N-[3-(4-fluoro-3-methoxyphenyl)propyl]butanamide

C14H20FNO2 — CID 155531392

IUPACN-[3-(4-fluoro-3-methoxyphenyl)propyl]butanamide
SMILESCCCC(=O)NCCCc1ccc(F)c(OC)c1
InChIInChI=1S/C14H20FNO2/c1-3-5-14(17)16-9-4-6-11-7-8-12(15)13(10-11)18-2/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyCYWRJZLWWUAAGM-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.68
Rot. Bonds7

About N-[3-(4-fluoro-3-methoxyphenyl)propyl]butanamide

N-[3-(4-fluoro-3-methoxyphenyl)propyl]butanamide (PubChem CID 155531392) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[3-(4-fluoro-3-methoxyphenyl)propyl]butanamide.

Molecular Properties

Compound NameN-[3-(4-fluoro-3-methoxyphenyl)propyl]butanamide
PubChem CID155531392
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-[3-(4-fluoro-3-methoxyphenyl)propyl]butanamide
SMILESCCCC(=O)NCCCc1ccc(F)c(OC)c1
InChIInChI=1S/C14H20FNO2/c1-3-5-14(17)16-9-4-6-11-7-8-12(15)13(10-11)18-2/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyCYWRJZLWWUAAGM-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluoro-3-methoxyphenyl)propyl]butanamide?
The IUPAC name of N-[3-(4-fluoro-3-methoxyphenyl)propyl]butanamide (CID 155531392) is N-[3-(4-fluoro-3-methoxyphenyl)propyl]butanamide.
What is the SMILES notation for N-[3-(4-fluoro-3-methoxyphenyl)propyl]butanamide?
The canonical SMILES for N-[3-(4-fluoro-3-methoxyphenyl)propyl]butanamide is CCCC(=O)NCCCc1ccc(F)c(OC)c1.
What is the InChIKey of N-[3-(4-fluoro-3-methoxyphenyl)propyl]butanamide?
The InChIKey is CYWRJZLWWUAAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-5-14(17)16-9-4-6-11-7-8-12(15)13(10-11)18-2/h7-8,10H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of N-[3-(4-fluoro-3-methoxyphenyl)propyl]butanamide?
N-[3-(4-fluoro-3-methoxyphenyl)propyl]butanamide has a molecular weight of 253.32 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluoro-3-methoxyphenyl)propyl]butanamide is sourced from PubChem (CID 155531392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).